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TitleTwo Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors
Journal, issue, pagesJ. Mol. Biol., Vol. 410, Page 745-755, Year 2011
Publish dateJan 21, 2008 (structure data deposition date)
AuthorsBlum, A. / Bottcher, J. / Dorr, S. / Heine, A. / Klebe, G. / Diederich, W.E.
External linksJ. Mol. Biol. / PubMed:21762812
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-2zga:
HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (hexagonal space group)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-3ckt:
HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (orthorombic space group)
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-YDP:
(3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine

ChemComp-HOH:
WATER

ChemComp-CL:
Unknown entry

Source
  • human immunodeficiency virus 1
KeywordsHYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex

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